* LIGAND DATABASE FILE (OPLS2005)
*
001     113   113    210    313     623
    1     0 S   NP   _N1_     1    28.75409    93.00520   -21.68531
    2     1 S   H    _HN1     2     1.02800    83.57556   -96.57855
    3     1 S   H    _H1_     3     1.02932   105.42106    10.61852
    4     1 S   H    _H2_     4     1.02836    26.77477   108.54707
    5     1 S   CT   _CA1     5     1.50020   132.67980   149.34002
    6     5 S   HC   _HA1     6     1.09578   105.34893    41.50525
    7     5 S   CO3  _C1_     7     1.53950   112.01865   -78.89091
    8     7 S   O2Z  _O11     8     1.26416   115.20195   -56.66199
    9     7 S   O2Z  _O12     9     1.26227   114.88184   122.42871
   10     5 S   CT   _CB1    10     1.53036   107.43520   159.40383
   11    10 S   HC   HB11    11     1.09819   109.92734   -49.30858
   12    10 S   HC   HB12    12     1.09810   110.26841    67.37982
   13    10 S   CT   _CG1    13     1.52932   112.18293  -170.15565
   14    13 S   HC   HG11    14     1.09627   110.49860   -53.14595
   15    13 S   HC   HG12    15     1.09406   109.85841    65.76255
   16    13 S   C    _CD1    16     1.51692   112.07991  -173.12365
   17    16 S   O    _OE1    17     1.22768   123.16595    -6.56244
   18    16 S   N    _N2_    18     1.38635   111.69246   171.73632
   19    18 S   H    _HN2    19     1.01528   119.18210     7.06369
   20    18 S   CT1  _CA2    20     1.46062   122.95270  -168.95734
   21    20 S   HC   _HA2    21     1.09700   109.35204   -14.10810
   22    20 S   C    _C2_    22     1.53283   109.45087  -130.77441
   23    22 S   O    _O2_    23     1.23114   121.99781  -148.36553
   24    20 S   CT   _CB2    32     1.53699   110.80429   107.23531
   25    24 S   HC   HB21    33     1.09588   109.10347    62.06407
   26    24 S   HC   HB22    34     1.09503   110.51113  -179.65452
   27    22 S   N    _N3_    24     1.38413   113.93251    39.23420
   28    27 S   H    _HN3    25     1.01777   119.56688    -4.82698
   29    24 S   S    _SG2    35     1.83070   112.14161   -59.11746
   30    27 S   CT   _CA3    26     1.45415   122.67049   175.54280
   31    30 S   HC   HA31    27     1.09582   108.15772    41.38315
   32    30 S   HC   HA32    28     1.09471   107.35093   158.06997
   33    29 S   CT   _C9_    36     1.85525    99.64177   153.80347
   34    33 S   HC   _H6_    37     1.09259   104.77936   -39.47452
   35    30 S   CO3  _C3_    29     1.53042   114.41577   -81.36655
   36    35 S   O2Z  _O31    30     1.26317   116.16788   -30.68182
   37    35 S   O2Z  _O32    31     1.26516   114.51840   150.13743
   38    33 S   CT   _C10    38     1.55339   110.21848  -154.30373
   39    38 S   HC   _H18    39     1.09369   107.61849  -177.45270
   40    38 S   HC   _H19    40     1.09813   109.73120   -62.73002
   41    33 S   CT   _C8_    97     1.58028   111.72654    75.81078
   42    41 S   OM   _O41    98     1.32724   108.79502    68.85022
   43    41 S   HC   _H5_    99     1.09985   104.23140   -58.93430
   44    38 S   CT   _C11    41     1.55642   116.81871    60.26536
   45    44 S   HC   _H7_    42     1.09648   109.21110   -64.35381
   46    41 S   CT   _C5_   100     1.58278   113.28209  -171.80770
   47    46 S   HC   _H3_   101     1.10090   109.64092   -66.37658
   48    44 S   CT   _C12    43     1.53451   113.23666    55.63822
   49    48 S   HC   _H20    44     1.09703   111.38656  -175.51528
   50    48 S   HC   _H21    45     1.09312   111.66773   -57.33188
   51    46 S   CT   _C4_   102     1.54234   111.90376    50.31922
   52    51 S   HC   _H11   103     1.09475   111.43630    51.27162
   53    51 S   HC   _H12   104     1.09468   111.67905   172.23479
   54    51 S   HC   _H13   105     1.09375   111.17718   -69.28392
   55    46 S   CT   _C6_   106     1.56094   113.04827   175.69211
   56    55 S   HC   _H4_   107     1.09565   109.66869    57.75193
   57    48 S   OS   _O34    46     1.42538   110.33805    62.89676
   58    55 S   CT   _C7_   108     1.52564   114.90019   -65.20709
   59    58 S   HC   _H14   109     1.09466   111.52580   -62.40790
   60    58 S   HC   _H15   110     1.09287   112.07581    60.15306
   61    58 S   HC   _H16   111     1.09599   110.04110  -179.82868
   62    55 S   OH   _O33   112     1.43189   108.72042   173.24164
   63    62 S   HO   _H17   113     0.97222   107.37340  -175.52363
   64    57 S   CT   _C13    47     1.43572   112.57489    65.86599
   65    64 S   HC   _H8_    48     1.09770   109.09268    59.52157
   66    64 S   CT   _C14    49     1.53971   109.97544   -61.15886
   67    66 S   HC   _H9_    50     1.09561   109.24626   -67.71922
   68    64 S   CT   _C16    57     1.54212   107.84341   177.51069
   69    68 S   HC   _H24    58     1.09680   110.71460   178.43577
   70    68 S   HC   _H25    59     1.09866   108.96383    62.07213
   71    44 S   CT   _C15    51     1.54632   110.25910   176.60702
   72    71 S   HC   _H10    52     1.09570   111.23057    51.60010
   73    66 S   OH   _O36    55     1.42598   109.80969   175.37204
   74    73 S   HO   _H23    56     0.97222   107.55254  -171.13672
   75    68 S   CM   _C17    60     1.52185   112.50459   -59.26981
   76    71 S   OH   _O35    53     1.43148   109.52463   169.01721
   77    76 S   HO   _H22    54     0.97498   108.69603   -51.13577
   78    75 S   CM   _C18    61     1.34650   118.89370    97.92469
   79    78 S   HC   _H26    62     1.08814   119.27222    -1.00736
   80    75 S   CT   _C29    93     1.50372   114.97198   -80.77243
   81    80 S   HC   _H43    94     1.09475   109.94064   -70.94437
   82    80 S   HC   _H44    95     1.09123   113.68164   167.70993
   83    80 S   HC   _H45    96     1.09468   110.58727    48.37054
   84    78 S   CO4  _C19    63     1.47994   125.72162  -177.69837
   85    84 S   O    _O37    64     1.21858   126.30274   -28.71865
   86    84 S   OS   _O38    65     1.36005   106.56957   149.81323
   87    86 S   CT   _C20    66     1.43746   117.20851  -171.86168
   88    87 S   HC   _H27    67     1.09608   110.57178   -41.64861
   89    87 S   HC   _H28    68     1.09520   107.03049  -158.09918
   90    87 S   CT   _C21    69     1.52857   110.67978    81.91479
   91    90 S   HC   _H29    70     1.09656   109.27625   -65.62721
   92    90 S   HC   _H30    71     1.09602   109.14102   177.31810
   93    90 S   CT   _C22    72     1.53228   112.34936    55.00025
   94    93 S   HC   _H31    73     1.09667   109.63493    58.57679
   95    93 S   HC   _H32    74     1.09659   109.84655   -58.89243
   96    93 S   CT   _C23    75     1.52965   111.42564  -179.86583
   97    96 S   HC   _H33    76     1.09663   109.64992   -62.12785
   98    96 S   HC   _H34    77     1.09687   109.52280    55.22369
   99    96 S   CT   _C24    78     1.52986   111.22637   176.25200
  100    99 S   HC   _H35    79     1.09714   109.44327   -57.75341
  101    99 S   HC   _H36    80     1.09680   109.72554    59.48986
  102    99 S   CT   _C25    81     1.52974   111.34928  -178.95133
  103   102 S   HC   _H37    82     1.09665   109.64629   -61.39330
  104   102 S   HC   _H38    83     1.09683   109.55165    55.98662
  105   102 S   CT   _C26    84     1.52898   111.15902   177.07872
  106   105 S   HC   _H39    85     1.09631   109.54009    59.02622
  107   105 S   HC   _H40    86     1.09577   109.21203   -57.88888
  108   105 S   CT   _C27    87     1.52472   111.64825  -179.12889
  109   108 S   HC   _H41    88     1.09726   109.35747    55.82889
  110   108 S   HC   _H42    89     1.09690   109.54164   -61.49619
  111   108 S   CO3  _C28    90     1.53231   115.17900   177.07317
  112   111 S   O2Z  _O40    91     1.26511   114.05107  -172.75202
  113   111 S   O2Z  _O39    92     1.26134   116.68142     7.11014
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  16   6   5  13   5   4  13   8  13   8  10
   4   3   7   3   2   1   7   6  10   5   3   2   1   1   1  14
   8  11   6  12   4   3   5   3   2   1   9   1   1   9   4   4
   2   1   1   6   2   7   9   5   4   9   5   4   9   5   4   9
   5   4   9   5   4   9   5   4   8   5   4   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    71    41    42    43    46    47    51    55  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    57    66    71    72    76    41    42    43    46  
   40    44    45    48    71    41  
   44    45    48    71    41  
   42    43    46    47    51    52    53    54    55    56    58    62    44  
   43    46    47    51    55  
   46    47    51    55  
   45    48    49    50    57    64    66    67    71    72    76    77    73  
   48    49    50    57    66    71    72    76  
   47    51    52    53    54    55    56    58    59    60    61    62    63  
   51    52    53    54    55    56    58    62  
   49    50    57    64    65    66    71    72    76    68  
   50    57    64    71  
   57    64    71  
   52    53    54    55    56    58    62  
   53    54    55  
   54    55  
   55  
   56    58    59    60    61    62    63  
   58    59    60    61    62    63  
   64    65    66    67    71    73    68    69    70    75  
   59    60    61    62    63  
   60    61    62  
   61    62  
   62  
   63  
    0  
   65    66    67    71    72    76    73    74    68    69    70    75    78    80  
   66    67    71    73    68    69    70    75  
   67    71    72    76    77    73    74    68    69    70    75  
   71    72    76    73    74    68  
   69    70    75    78    79    84    80    81    82    83    71    73  
   70    75    78    80  
   75    78    80  
   72    76    77    73    74  
   76    77    73  
   74    76  
    0  
   78    79    84    85    86    80    81    82    83  
   77  
    0  
   79    84    85    86    87    80    81    82    83  
   84    85    86    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87  
   87    88    89    90    91    92    93  
   88    89    90    91    92    93    94    95    96  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   108  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108  
  105   106   107   108  
  106   107   108   109   110   111   112   113  
  107   108   109   110   111  
  108   109   110   111  
  109   110   111   112   113  
  110   111   112   113  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  111   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    71   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   320.000  1.410
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   268.000  1.529
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    73   320.000  1.410
   71    72   340.000  1.090
   71    76   320.000  1.410
   76    77   553.000  0.945
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   317.000  1.510
   75    78   549.000  1.340
   75    80   317.000  1.510
   78    79   340.000  1.080
   78    84   320.000  1.462
   84    85   570.000  1.229
   84    86   214.000  1.327
   86    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   317.000  1.522
  111   112   656.000  1.250
  111   113   656.000  1.250
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    55   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    48    58.35000  112.70000
   38    44    71    58.35000  112.70000
   40    38    39    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    40    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    57    50.00000  109.50000
   44    71    66    58.35000  112.70000
   44    71    72    37.50000  110.70000
   44    71    76    50.00000  109.50000
   48    44    45    37.50000  110.70000
   48    57    64    60.00000  109.50000
   50    48    49    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    50    35.00000  109.50000
   57    64    65    35.00000  109.50000
   57    64    66    50.00000  109.50000
   57    64    68    50.00000  109.50000
   64    66    67    37.50000  110.70000
   64    66    71    58.35000  112.70000
   64    66    73    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    75    70.00000  112.02700
   66    64    65    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    76    50.00000  109.50000
   66    73    74    55.00000  108.50000
   71    44    45    37.50000  110.70000
   71    44    48    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    76    77    55.00000  108.50000
   76    71    72    35.00000  109.50000
   73    66    67    35.00000  109.50000
   73    66    71    50.00000  109.50000
   68    64    65    37.50000  110.70000
   68    64    66    58.35000  112.70000
   68    75    78    70.00000  124.00000
   68    75    80    65.00000  117.92700
   70    68    69    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    70    35.00000  109.50000
   75    78    79    35.00000  120.00000
   75    78    84    65.00000  118.96000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    84    85    80.00000  123.72100
   78    84    86    90.00000  111.29400
   84    78    79    40.00000  117.72500
   84    86    87    83.00000  116.90000
   86    84    85    83.00000  123.40000
   86    87    88    35.00000  109.50000
   86    87    89    35.00000  109.50000
   86    87    90    50.00000  109.50000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  102   105   108    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   108   109    37.50000  110.70000
  105   108   110    37.50000  110.70000
  105   108   111    70.00000  109.69300
  107   105   106    33.00000  107.80000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  108   111   112    70.00000  117.00000
  108   111   113    70.00000  117.00000
  110   108   109    33.00000  107.80000
  111   108   109    35.00000  109.50000
  111   108   110    35.00000  109.50000
  113   111   112    80.00000  126.00000
   80    75    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    46    55    58.35000  112.70000
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    58    58.35000  112.70000
   46    55    62    50.00000  109.50000
   51    46    47    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    51    58.35000  112.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    55.00000  108.50000
   58    55    56    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    58    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
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   47    46    55    58   0.15000  1.0 3.0
   47    46    55    62   0.23400  1.0 3.0
   51    46    55    56   0.15000  1.0 3.0
   51    46    55    58   0.56750  1.0 1.0
   51    46    55    58  -0.07550 -1.0 2.0
   51    46    55    58   0.20000  1.0 3.0
   51    46    55    62   0.86500  1.0 1.0
   51    46    55    62  -0.17500 -1.0 2.0
   51    46    55    62   0.20800  1.0 3.0
   55    46    51    52   0.15000  1.0 3.0
   55    46    51    53   0.15000  1.0 3.0
   55    46    51    54   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   58    55    62    63  -0.11600  1.0 1.0
   58    55    62    63  -0.09450 -1.0 2.0
   58    55    62    63   0.21250  1.0 3.0
   62    55    58    59   0.23400  1.0 3.0
   62    55    58    60   0.23400  1.0 3.0
   62    55    58    61   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   68    80    75    78  15.00000 -1.0 2.0
   84    79    78    75  15.00000 -1.0 2.0
   78    86    84    85  10.50000 -1.0 2.0
  112   108   111   113  10.50000 -1.0 2.0
END
